3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C19H16F5N5O2S — CID 19520372

IUPAC3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3nc(C(F)F)cc3C3CC3)c12
InChIInChI=1S/C19H16F5N5O2S/c1-7-4-11(19(22,23)24)26-18-13(7)14(15(32-18)17(25)31)27-12(30)6-29-10(8-2-3-8)5-9(28-29)16(20)21/h4-5,8,16H,2-3,6H2,1H3,(H2,25,31)(H,27,30)
InChIKeyRYPLQSUBDFMRFY-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.37
Rot. Bonds6

About 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19520372) has the molecular formula C19H16F5N5O2S and a molecular weight of 473.43 g/mol. Its IUPAC name is 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19520372
Molecular FormulaC19H16F5N5O2S
Molecular Weight473.43 g/mol
Exact Mass473.09
IUPAC Name3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3nc(C(F)F)cc3C3CC3)c12
InChIInChI=1S/C19H16F5N5O2S/c1-7-4-11(19(22,23)24)26-18-13(7)14(15(32-18)17(25)31)27-12(30)6-29-10(8-2-3-8)5-9(28-29)16(20)21/h4-5,8,16H,2-3,6H2,1H3,(H2,25,31)(H,27,30)
InChIKeyRYPLQSUBDFMRFY-UHFFFAOYSA-N
XLogP4.37
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19520518
3-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19516609
6-(difluoromethyl)-4-methyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19521917
3-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19529109
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557523
3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19530404
3-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19552098
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19451313
3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19570228
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19447444
3-[[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19540145
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19520372) is 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3nc(C(F)F)cc3C3CC3)c12.
What is the InChIKey of 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RYPLQSUBDFMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O2S/c1-7-4-11(19(22,23)24)26-18-13(7)14(15(32-18)17(25)31)27-12(30)6-29-10(8-2-3-8)5-9(28-29)16(20)21/h4-5,8,16H,2-3,6H2,1H3,(H2,25,31)(H,27,30).
What are the key properties of 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).